2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine

C23H23N5 — CID 123794152

IUPAC2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
SMILESCc1nc(N)c(CCc2cccc(-c3cnn(C)c3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H23N5/c1-16-26-22(18-8-4-3-5-9-18)21(23(24)27-16)12-11-17-7-6-10-19(13-17)20-14-25-28(2)15-20/h3-10,13-15H,11-12H2,1-2H3,(H2,24,26,27)
InChIKeyQUFKXTDNQYSXPN-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.22
Rot. Bonds5

About 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine

2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine (PubChem CID 123794152) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
PubChem CID123794152
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
SMILESCc1nc(N)c(CCc2cccc(-c3cnn(C)c3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H23N5/c1-16-26-22(18-8-4-3-5-9-18)21(23(24)27-16)12-11-17-7-6-10-19(13-17)20-14-25-28(2)15-20/h3-10,13-15H,11-12H2,1-2H3,(H2,24,26,27)
InChIKeyQUFKXTDNQYSXPN-UHFFFAOYSA-N
XLogP4.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine (CID 123794152) is 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine is Cc1nc(N)c(CCc2cccc(-c3cnn(C)c3)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
The InChIKey is QUFKXTDNQYSXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-16-26-22(18-8-4-3-5-9-18)21(23(24)27-16)12-11-17-7-6-10-19(13-17)20-14-25-28(2)15-20/h3-10,13-15H,11-12H2,1-2H3,(H2,24,26,27).
What are the key properties of 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 123794152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).